3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H25N3O3 — CID 94104059

IUPAC3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccccc1[C@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H25N3O3/c1-12(13-8-6-7-9-14(13)23-5)19(4)10-11-20-15(21)17(2,3)18-16(20)22/h6-9,12H,10-11H2,1-5H3,(H,18,22)/t12-/m0/s1
InChIKeyDOBQWKAQZANFBG-LBPRGKRZSA-N
MW319.40 g/mol
LogP2.02
Rot. Bonds6

About 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 94104059) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID94104059
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccccc1[C@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H25N3O3/c1-12(13-8-6-7-9-14(13)23-5)19(4)10-11-20-15(21)17(2,3)18-16(20)22/h6-9,12H,10-11H2,1-5H3,(H,18,22)/t12-/m0/s1
InChIKeyDOBQWKAQZANFBG-LBPRGKRZSA-N
XLogP2.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94184517
3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94470068
3-[2-[benzhydryl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429502
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912786
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185346
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46588357
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 51081765
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657099
3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 116652528
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 94407176
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46786760

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 94104059) is 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccccc1[C@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is DOBQWKAQZANFBG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(13-8-6-7-9-14(13)23-5)19(4)10-11-20-15(21)17(2,3)18-16(20)22/h6-9,12H,10-11H2,1-5H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 319.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 94104059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).